(3-butyl-2-oxidanylidene-chromen-4-yl) 2-(2-nitrophenoxy)ethanoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 2-(2-nitrophenoxy)ethanoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H19NO7/c1-2-3-8-15-20(14-9-4-6-11-17(14)28-21(15)24)29-19(23)13-27-18-12-7-5-10-16(18)22(25)26/h4-7,9-12H,2-3,8,13H2,1H3